N-cyclohexyl-N-ethyl-3-methylbutanamide

C13H25NO — CID 670174

IUPACN-cyclohexyl-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-4-14(13(15)10-11(2)3)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyWSMJQRARUZIKGT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds4

About N-cyclohexyl-N-ethyl-3-methylbutanamide

N-cyclohexyl-N-ethyl-3-methylbutanamide (PubChem CID 670174) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-methylbutanamide
PubChem CID670174
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-cyclohexyl-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-4-14(13(15)10-11(2)3)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyWSMJQRARUZIKGT-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-cyclohexyl-N-ethyl-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-methylbutanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-methylbutanamide (CID 670174) is N-cyclohexyl-N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-methylbutanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-methylbutanamide is CCN(C(=O)CC(C)C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-methylbutanamide?
The InChIKey is WSMJQRARUZIKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-14(13(15)10-11(2)3)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-methylbutanamide?
N-cyclohexyl-N-ethyl-3-methylbutanamide has a molecular weight of 211.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 670174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).